![2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid structure](/static/products/575/575471-05-5.png)
2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid
TL;DR: 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid (CAS 575471-05-5) is a chemical compound with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
Also Known As: 2-[[2-(benzylcarbamoyl)-2-cyano-ethenyl]amino]benzoic Acid, (Z)-2-((3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)amino)benzoic acid, 2-[[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid, 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid
| Molecular Formula | C18H15N3O3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 2.52058 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.11133 |
| Heavy Atoms | 24 |
| Complexity | 807.7587 |
Chemical Identifiers
| CAS Number | 575471-05-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)/C(=C\NC2=CC=CC=C2C(=O)O)/C#N |
Product Overview
2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid (CAS 575471-05-5), with molecular formula C18H15N3O3 and molecular weight 321.11 g/mol. IUPAC: 2-[[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid.
Chemical Property Profile of 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid
Property Insights of 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid
The XLogP value of 2.52058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid?
The CAS number of 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid is 575471-05-5.
What is the molecular formula of 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid?
The molecular formula of 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid is C18H15N3O3.
What is the molecular weight of 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid?
The molecular weight of 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid is 321.11 g/mol.
Where can I buy 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid?
You can request a quote for 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.